Download or read book Computational study on medicinally important antibiotics written by Rajeshwar Rao Bojja and published by Blue Rose Publishers. This book was released on 2022-07-25 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum chemistry uses the Schrödinger equation to predict properties of molecules and their course in chemical reactions. From the 1920 to 1960s, it handled the complicated mathematical equations of quantum mechanics for molecules. Now, it can solve complicated problems through computer technology. It also makes real-time calculations with new concepts and simplifications. Novel approaches will be needed in quantum chemistry to promote research field beyond a set of techniques available in computer programs for showing many pressing problems of humanity. Currently, it is available to everyone to use popular free chemistry software packages. First generate new ideas to explore and produce truly novel results with their capabilities. Since 1960, remarkable advances are observed in the development and availability of computers for making all-important contributions to the solutions of critical problems in chemistry. One of the most challenges in chemistry is the prediction of the folded structure of peptide and protein synthesis in different chemical environments. It is highly interdisciplinary field of research, linking biology and biochemistry fields, like analytical, inorganic, organic, medicinal, physical, pharmaceutical and theoretical chemistry.
Download or read book Treating Infectious Diseases in a Microbial World written by National Research Council and published by National Academies Press. This book was released on 2006-01-03 with total page 102 pages. Available in PDF, EPUB and Kindle. Book excerpt: Humans coexist with millions of harmless microorganisms, but emerging diseases, resistance to antibiotics, and the threat of bioterrorism are forcing scientists to look for new ways to confront the microbes that do pose a danger. This report identifies innovative approaches to the development of antimicrobial drugs and vaccines based on a greater understanding of how the human immune system interacts with both good and bad microbes. The report concludes that the development of a single superdrug to fight all infectious agents is unrealistic.
Download or read book Mechanisms of antibiotic resistance written by Jun Lin and published by Frontiers Media SA. This book was released on 2015-06-01 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt: Antibiotics represent one of the most successful forms of therapy in medicine. But the efficiency of antibiotics is compromised by the growing number of antibiotic-resistant pathogens. Antibiotic resistance, which is implicated in elevated morbidity and mortality rates as well as in the increased treatment costs, is considered to be one of the major global public health threats (www.who.int/drugresistance/en/) and the magnitude of the problem recently prompted a number of international and national bodies to take actions to protect the public (http://ec.europa.eu/dgs/health_consumer/docs/road-map-amr_en.pdf: http://www.who.int/drugresistance/amr_global_action_plan/en/; http://www.whitehouse.gov/sites/default/files/docs/carb_national_strategy.pdf). Understanding the mechanisms by which bacteria successfully defend themselves against the antibiotic assault represent the main theme of this eBook published as a Research Topic in Frontiers in Microbiology, section of Antimicrobials, Resistance, and Chemotherapy. The articles in the eBook update the reader on various aspects and mechanisms of antibiotic resistance. A better understanding of these mechanisms should facilitate the development of means to potentiate the efficacy and increase the lifespan of antibiotics while minimizing the emergence of antibiotic resistance among pathogens.
Download or read book Computational Phytochemistry written by Satyajit Dey Sarker and published by Elsevier. This book was released on 2024-03-06 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Phytochemistry, Second Edition, explores how recent advances in computational techniques and methods have been embraced by phytochemical researchers to enhance many of their operations, refocusing and expanding the possibilities of phytochemical studies. By applying computational aids and mathematical models to extraction, isolation, structure determination, and bioactivity testing, researchers can obtain highly detailed information about phytochemicals and optimize working approaches. This book aims to support and encourage researchers currently working with or looking to incorporate computational methods into their phytochemical work. Topics in this book include computational methods for predicting medicinal properties, optimizing extraction, isolating plant secondary metabolites, and building dereplicated phytochemical libraries. The roles of high-throughput screening, spectral data for structural prediction, plant metabolomics, and biosynthesis are all reviewed before the application of computational aids for assessing bioactivities and virtual screening is discussed. Illustrated with detailed figures and supported by practical examples, this book is an indispensable guide for all those involved with the identification, extraction, and application of active agents from natural products. This new edition captures remarkable advancements in mathematical modeling and computational methods that have been incorporated in phytochemical research, addressing, e.g., extraction, isolation, structure determination, and bioactivity testing of phytochemicals. - Includes step-by-step protocols for various computational and mathematical approaches applied to phytochemical research - Features clearly illustrated chapters contributed by highly reputable researchers - Covers all key areas in phytochemical research, including virtual screening and metabolomics
Download or read book An Introduction to Undergraduate Research in Computational and Mathematical Biology written by Hannah Callender Highlander and published by Springer Nature. This book was released on 2020-02-17 with total page 479 pages. Available in PDF, EPUB and Kindle. Book excerpt: Speaking directly to the growing importance of research experience in undergraduate mathematics programs, this volume offers suggestions for undergraduate-appropriate research projects in mathematical and computational biology for students and their faculty mentors. The aim of each chapter is twofold: for faculty, to alleviate the challenges of identifying accessible topics and advising students through the research process; for students, to provide sufficient background, additional references, and context to excite students in these areas and to enable them to successfully undertake these problems in their research. Some of the topics discussed include: • Oscillatory behaviors present in real-world applications, from seasonal outbreaks of childhood diseases to action potentials in neurons • Simulating bacterial growth, competition, and resistance with agent-based models and laboratory experiments • Network structure and the dynamics of biological systems • Using neural networks to identify bird species from birdsong samples • Modeling fluid flow induced by the motion of pulmonary cilia Aimed at undergraduate mathematics faculty and advanced undergraduate students, this unique guide will be a valuable resource for generating fruitful research collaborations between students and faculty.
Download or read book Bacterial Cell Wall Structure and Dynamics written by Tobias Dörr and published by Frontiers Media SA. This book was released on 2019-12-27 with total page 199 pages. Available in PDF, EPUB and Kindle. Book excerpt: Bacterial cells are encased in a cell wall, which is required to maintain cell shape and to confer physical strength to the cell. The cell wall allows bacteria to cope with osmotic and environmental challenges and to secure cell integrity during all stages of bacterial growth and propagation, and thus has to be sufficiently rigid. Moreover, to accommodate growth processes, the cell wall at the same time has to be a highly dynamic structure: During cell enlargement, division, and differentiation, bacteria continuously remodel, degrade, and resynthesize their cell wall, but pivotally need to assure cell integrity during these processes. Finally, the cell wall is also adjusted according to both environmental constraints and metabolic requirements. However, how exactly this is achieved is not fully understood. The major structural component of the bacterial cell wall is peptidoglycan (PG), a mesh-like polymer of glycan chains interlinked by short-chain peptides, constituting a net-like macromolecular structure that has historically also termed murein or murein sacculus. Although the basic structure of PG is conserved among bacteria, considerable variations occur regarding cross-bridging, modifications, and attachments. Moreover, different structural arrangements of the cell envelope exist within bacteria: a thin PG layer sandwiched between an inner and outer membrane is present in Gram-negative bacteria, and a thick PG layer decorated with secondary glycopolymers including teichoic acids, is present in Gram-positive bacteria. Furthermore, even more complex envelope structures exist, such as those found in mycobacteria. Crucially, all bacteria possess a multitude of often redundant lytic enzymes, termed “autolysins”, and other cell wall modifying and synthesizing enzymes, allowing to degrade and rebuild the various structures covering the cells. However, how cell wall turnover and cell wall biosynthesis are coordinated during different stages of bacterial growth is currently unclear. The mechanisms that prevent cell lysis during these processes are also unclear. This Research Topic focuses on the dynamics of the bacterial cell wall, its modifications, and structural rearrangements during cell growth and differentiation. It pays particular attention to the turnover of PG, its breakdown and recycling, as well as the regulation of these processes. Other structures, for example, secondary polymers such as teichoic acids, which are dynamically changed during bacterial growth and differentiation, are also covered. In recent years, our view on the bacterial cell envelope has undergone a dramatic change that challenged old models of cell wall structure, biosynthesis, and turnover. This collection of articles aims to contribute to new understandings of bacterial cell wall structure and dynamics.
Download or read book Natural Compounds as Antimicrobial Agents written by Carlos M. Franco and published by MDPI. This book was released on 2020-12-02 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: The world is full of plants and animals that have their own defenses, producing various substances in their daily fight against bacteria, fungi, or other agents. These products are alternatives to conventional antimicrobials that have a poor reputation with consumers. Many of these compounds are well known; however, the multiple types of structures together with the variable responses depending of the type of biocontrol needed in a wide range of applications, such as clinical, agricultural, general hygiene, and food, necessitates the continuous search for specific applications and the continuous study of how to use these substances. The present book provides a summary of reviews and original research works that explore the multiple alternatives for the use of these compounds.
Download or read book Oxford Handbook of Infectious Diseases and Microbiology written by Estée Török and published by Oxford University Press. This book was released on 2016-12-06 with total page 914 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fully reviewed and revised for its second edition, the Oxford Handbook of Infectious Diseases and Microbiology maintains its position as the must-have guide to all aspects of infectious diseases and microbiology. Reflecting the current approach to joint postgraduate training programmes, the handbook takes an integrated approach to both subjects. It covers the basic principles of bacteriology and virology, along with specific guidance on individual diseases and conditions, all in the accessible Oxford Handbook style. Now including new topics on important subjects such as microbiology specimen collection, commonly used media, molecular diagnostics, and antimicrobials in pregnancy, as well as incorporating new guidelines from WHO, NICE, and BASHH among others, this handbook ensures that the informaiton you need is accessible, clear, and easy-to-understand. Practical and comprehensive, this handbook includes coverage of National Frameworks and current legislation, together with information on topical issues such as bioterrorism and preventative medicine. Fully reviewed by specialist senior readers, and with useful links to up-to-date clinical information and online resources, this is an important addition to the Oxford Handbook Series.
Download or read book Drug like Properties Concepts Structure Design and Methods written by Li Di and published by Elsevier. This book was released on 2010-07-26 with total page 549 pages. Available in PDF, EPUB and Kindle. Book excerpt: Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, typically only a fraction of these have sufficient ADME/Tox properties to become a drug product. Understanding ADME/Tox is critical for all drug researchers, owing to its increasing importance in advancing high quality candidates to clinical studies and the processes of drug discovery. If the properties are weak, the candidate will have a high risk of failure or be less desirable as a drug product. This book is a tool and resource for scientists engaged in, or preparing for, the selection and optimization process. The authors describe how properties affect in vivo pharmacological activity and impact in vitro assays. Individual drug-like properties are discussed from a practical point of view, such as solubility, permeability and metabolic stability, with regard to fundamental understanding, applications of property data in drug discovery and examples of structural modifications that have achieved improved property performance. The authors also review various methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties. - Serves as an essential working handbook aimed at scientists and students in medicinal chemistry - Provides practical, step-by-step guidance on property fundamentals, effects, structure-property relationships, and structure modification strategies - Discusses improvements in pharmacokinetics from a practical chemist's standpoint
Download or read book Antimicrobial Chemotherapy written by Roger Finch and published by OUP Oxford. This book was released on 2012-01-05 with total page 409 pages. Available in PDF, EPUB and Kindle. Book excerpt: Antimicrobial agents are essential for the treatment of life-threatening infections and for managing the burden of minor infections in the community. In addition, they play a key role in organ and bone marrow transplantation, cancer chemotherapy, artificial joint and heart valve surgery. Unlike other classes of medicines, they are vulnerable to resistance from mutations in target microorganisms, and their adverse effects may extend to other patients (increased risk of cross-infection). As a consequence, there is a constant requirement for new agents, as well as practices that ensure the continued effective prescribing of licensed agents. Public awareness and concerns about drug resistant organisms has led to widespread publicity and political action in the UK, Europe and worldwide. The control of drug resistance and the implementation of good prescribing practice are now legal requirements in the UK as a result of the UK Health Act (2008). These fundamental changes underscore the need for a thorough understanding of the advantages and risks associated with specific antibiotic choices. This sixth edition of Antimicrobial Chemotherapy continues to be a valuable resource for undergraduates and graduates requiring a thorough grounding in the scientific basis and clinical application of these drugs. This new edition is updated to include the most recently licensed agents, notably in the treatment of viral infections including HIV/AIDS, and contains new guidance on prescribing practice and infection control practices that limit the development and spread of resistant organisms.
Download or read book Penicillins and Cephalosporins written by Robert B. Morin and published by Academic Press. This book was released on 2014-05-10 with total page 594 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and Biology of ?-Lactam Antibiotics, Volume 1: Penicillins and Cephalosporins provides information pertinent to the study of antibiotics containing the ?-lactam moiety. This book discusses the occurrence of a group of ?-lactam antibiotics structurally related to cephalosporin C. Organized into five chapters, this volume begins with an overview of the mechanism of action of ?-lactam antibiotics that caused many microbiologists to develop screening tools for the detection of the ?-lactam moiety. This text then discusses the discovery of the nocardicins, the thienamycins, and olivanic acids. Other chapters provide a summary of the essential penicillin sulfoxide chemistry that gave rise to many compounds. This book discusses as well the ability of chemists to predict the level of biological activity of a compound from knowledge of its structure through theoretical and physicochemical studies. The final chapter deals with quantitative structure–activity relationships. This book is a valuable resource for microbiologists, chemists, and scientists.
Download or read book Microbial Functional Genomics written by Jizhong Zhou and published by John Wiley & Sons. This book was released on 2004-03-19 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: Microbial Functional Genomics offers a timely summary of the principles, approaches, and applications. It presents a comprehensive review of microbial functional genomics, covering microbial diversity, microbial genome sequencing, genomic technologies, genome-wide functional analysis, applied functional genomics, and future directions. An introduction will offer a definition of the field and an overview of the historical and comparative genomics aspects.
Download or read book The Quinolones written by Vincent T. Andriole and published by Elsevier. This book was released on 2000-10-09 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quinolones constitute a large class of synthetic antimicrobial agents that are highly effective in the treatment of many types of infectious diseases, particularly those caused by bacteria. New quinolones are continually being developed as bacterial species develop resistance to existing quinolones. This book presents the most current information available in our continual struggle to conquer disease. Over time, bacteria become resistant to medicines that are used to combat them. Because of this, the medical world is always in search of new and improved ways to battle these disease-causing bacteria. Quinolones are at the forefront of this research. Edited by one of the world's foremost authorities on the subject, the third edition of this highly successful title will serve as a valuable tool for primary care physicians and researchers interested in a comprehensive, up-to-date reference on the chemistry, mechanisms of action, development of resistance, and clinical efficacy of both currently available and newer quinolone compounds under investigation. This is the eagerly anticipated fully revised edition of the standard reference in the field. - Eagerly anticipated updated edition of noted title covering synthetic microbial agents that are useful against infectious disease, particularly those caused by bacteria - Edited by one of the foremost experts in the field of quinolone research and infectious disease - History of quinolones, chemistry & mechanisms of action, pharmacology, safety aspects - Role of quinolones in treating various types of infections, including respiratory infections, gastrointestinal infections, urinary tract infections, prostatitis, STDs and bacterial meningitis as well as their use in immunocompromised patients
Download or read book Comprehensive Medicinal Chemistry III written by and published by Elsevier. This book was released on 2017-06-03 with total page 4609 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Medicinal Chemistry III, Eight Volume Set provides a contemporary and forward-looking critical analysis and summary of recent developments, emerging trends, and recently identified new areas where medicinal chemistry is having an impact. The discipline of medicinal chemistry continues to evolve as it adapts to new opportunities and strives to solve new challenges. These include drug targeting, biomolecular therapeutics, development of chemical biology tools, data collection and analysis, in silico models as predictors for biological properties, identification and validation of new targets, approaches to quantify target engagement, new methods for synthesis of drug candidates such as green chemistry, development of novel scaffolds for drug discovery, and the role of regulatory agencies in drug discovery. Reviews the strategies, technologies, principles, and applications of modern medicinal chemistry Provides a global and current perspective of today's drug discovery process and discusses the major therapeutic classes and targets Includes a unique collection of case studies and personal assays reviewing the discovery and development of key drugs
Download or read book Coarse Graining of Condensed Phase and Biomolecular Systems written by Gregory A. Voth and published by CRC Press. This book was released on 2008-09-22 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems. Assembling some of the most influential, world-renowned researchers in the field, this book covers the latest developments in the coarse-grained molecular dynamics simulation and modeling of condensed phase and biomolecular systems. Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors discuss the minimalist, inversion, and multiscale approaches to coarse-graining, along with the emerging challenges of coarse-graining. They also connect atomic-level information with new coarse-grained representations of complex systems, such as lipid bilayers, proteins, peptides, and DNA.
Download or read book Peptidomimetics in Organic and Medicinal Chemistry written by Antonio Guarna and published by John Wiley & Sons. This book was released on 2014-03-14 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: A peptidomimetic is a small protein-like chain designed to mimic a peptide with adjusted molecular properties such as enhanced stability or biological activity. It is a very powerful approach for the generation of small-molecule-based drugs as enzyme inhibitors or receptor ligands. Peptidomimetics in Organic and Medicinal Chemistry outlines the concepts and synthetic strategies underlying the building of bioactive compounds of a peptidomimetic nature. Topics covered include the chemistry of unnatural amino acids, peptide- and scaffold-based peptidomimetics, amino acid-side chain isosteres, backbone isosteres, dipeptide isosteres, beta-turn peptidomimetics, proline-mimetics as turn inducers, cyclic scaffolds, amino acid surrogates, and scaffolds for combinatorial chemistry of peptidomimetics. Case studies in the hit-to-lead process, such as the development of integrin ligands and thrombin inhibitors, illustrate the successful application of peptidomimetics in drug discovery.
Download or read book Computational Drug Design written by D. C. Young and published by John Wiley & Sons. This book was released on 2009-01-28 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Helps you choose the right computational tools and techniques to meet your drug design goals Computational Drug Design covers all of the major computational drug design techniques in use today, focusing on the process that pharmaceutical chemists employ to design a new drug molecule. The discussions of which computational tools to use and when and how to use them are all based on typical pharmaceutical industry drug design processes. Following an introduction, the book is divided into three parts: Part One, The Drug Design Process, sets forth a variety of design processes suitable for a number of different drug development scenarios and drug targets. The author demonstrates how computational techniques are typically used during the design process, helping readers choose the best computational tools to meet their goals. Part Two, Computational Tools and Techniques, offers a series of chapters, each one dedicated to a single computational technique. Readers discover the strengths and weaknesses of each technique. Moreover, the book tabulates comparative accuracy studies, giving readers an unbiased comparison of all the available techniques. Part Three, Related Topics, addresses new, emerging, and complementary technologies, including bioinformatics, simulations at the cellular and organ level, synthesis route prediction, proteomics, and prodrug approaches. The book's accompanying CD-ROM, a special feature, offers graphics of the molecular structures and dynamic reactions discussed in the book as well as demos from computational drug design software companies. Computational Drug Design is ideal for both students and professionals in drug design, helping them choose and take full advantage of the best computational tools available. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.
